2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide

C14H28N2O3 — CID 66691863

IUPAC2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1(CCN)CCOC(C)(C)O1
InChIInChI=1S/C14H28N2O3/c1-5-16(6-2)12(17)11-14(7-9-15)8-10-18-13(3,4)19-14/h5-11,15H2,1-4H3
InChIKeyDILXEKOOUFKFQN-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide

2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide (PubChem CID 66691863) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
PubChem CID66691863
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1(CCN)CCOC(C)(C)O1
InChIInChI=1S/C14H28N2O3/c1-5-16(6-2)12(17)11-14(7-9-15)8-10-18-13(3,4)19-14/h5-11,15H2,1-4H3
InChIKeyDILXEKOOUFKFQN-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,2,4-trimethyl-1,3-dioxan-4-yl)acetate
CID 141390205
N,N-diethyl-2-(4-hydroxyoxan-4-yl)acetamide
CID 174157635
2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
CID 54218223
tert-butyl 2-[(4R)-4-(2-aminoethyl)-1,3-dioxan-4-yl]acetate
CID 22846020
4-(aminomethyl)-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120922745
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N,N-diethyl-3-oxopropanamide
CID 23240176
4-ethyl-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxane
CID 22011168
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpropanamide
CID 109028480
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763
N-(2-aminoethyl)-N-ethylacetamide
CID 23084474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide (CID 66691863) is 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CC1(CCN)CCOC(C)(C)O1.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
The InChIKey is DILXEKOOUFKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16(6-2)12(17)11-14(7-9-15)8-10-18-13(3,4)19-14/h5-11,15H2,1-4H3.
What are the key properties of 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide?
2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide has a molecular weight of 272.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 66691863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).